A PhD position is available at the Center for Theoretical Chemistry,
Ruhr-University Bochum, Germany, in the Molecular Simulation group of
Prof. Lars Schaefer.
The position is embedded in the Research Training Group
Confinement-Controlled Chemistry (GRK 2376), funded by the German
Research Foundation (DFG). 

Project Description: 
We will study the confinement-controlled structure/dynamics/properties
relationships in supramolecular cages, in collaboration with experimental
groups in the GRK. 
The aim is to obtain an atomic-level understanding of the structural
dynamics of the host-guest interaction, the free energy landscape of
host-guest binding, and the enthalpy and entropy contributions to the
binding free energy. 
The project will involve classical molecular dynamics (MD) simulations,
free energy simulations, quantum chemical calculations, and polarisable
force field simulations. 

Requirements: 
Applicants must hold, or expect to obtain, a Masters degree in Physics,
Chemistry, or a closely related field; 
be capable of working in a collaborative setting in an interdisciplinary
team; have superior grades as a graduate student; language and scientific
communication skills in English. 
Experience with LINUX and knowledge of a programming language are beneficial. 
Furthermore, candidates should be open to a research stay in the United
States, as the PhD project involves a collaboration with and extended
(2-3 months) internship in Teresa Head-Gordon's group at UC Berkeley, who
is co-supervising the PhD project.

Applying:
Please send your application with a short letter of motivation (max 500
words), CV,  certificates/transcript, etc, preferably as a single PDF
file, to: 
Prof. Dr. Lars Schaefer, Center for Theoretical Chemistry,
Ruhr-University Bochum, Germany. Email: lars.schaefer[#]rub.de 
Application deadline is May 20, 2018. We might accept later applications
until the position is filled.